Supplementary Table 1. Data collection and refinement statistics

Data collection / wt 2D1 / del 2D1
Beamline / SSRL 9-2 / APS 23ID-D
Wavelength (Å) / 0.9795 / 1.033
Space group / P21 / P212121
Unit cell parameters / a = 69.9 Å, b = 80.9 Å, c = 77.2 Å
a = g = 90.0˚, b = 100.1˚ / a = 68.9 Å, b = 69.7 Å, c = 97.7 Å
a = b = g = 90˚
Resolution (Å) / 50 - 1.55 (1.58 – 1.55) a / 100 – 1.65 (1.71 – 1.65) a
Observations / 3,680,965 / 3,071,155
Unique reflections / 121,518 (5935) a / 55,866 (5477) a
Completeness (%) / 98.7 (96.5) a / 99.7 (99.6) a
I/sI / 14.5 (1.5) a / 21.0 (3.4) a
Rsymb / 0.056 (0.61) a / 0.077 (0.61) a
Refinement statistics
Resolution (Å) / 50 – 1.55 / 50 – 1.65
Reflections (total) / 120,972 / 55,730
Reflections (test) / 6,065 / 2,830
Rcryst(%)c / 18.0 / 18.3
Rfree(%)d / 20.6 / 20.9
Average B-value (Å2) / 27.8 / 38.5
Protein Only / 26.5 / 38.2
Waters / 36.9 / 42.2
Wilson B-value (Å2) / 21.1 / 25.0
Protein atoms / 6,696 / 3,374
Waters / 939 / 273
RMSD from ideal geometry
Bond length (Å) / 0.006 / 0.009
Bond angles (°) / 1.08 / 1.23
Ramachandran statistics (%)e
Favored / 97.3 / 97.7
Outliers / 0.0 / 0.0
PDB ID / 3QHZ / 3QHF

a Numbers in parentheses refer to the highest resolution shell

b Rsym = Shkl | <Ii-> | / Shkl Ii, where Ii is the scaled intensity of the ith measurement and < Ii > is the average intensity for that reflection.

c Rcryst = Shkl | Fo - Fc | / Shkl | Fo | x 100

d Rfree was calculated as for Rcryst, but on a test set comprising 5% of the data excluded from refinement.

e Calculated using Molprobity

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